Information card for entry 7015606

Structure parameters

• Formula: C46 H44 Cu2 Fe8 N4 O24
• Calculated formula: C46 H44 Cu2 Fe8 N4 O24
• SMILES: [C]1234[Cu]5678(C(=O)[Fe]936(C#[O])(C#[O])[Fe]315(C#[O])(C#[O])([Fe]29(C#[O])(C#[O])(C#[O])[Fe]483(C7=O)(C#[O])C#[O])C#[O])[n]1cc[n](cc1)[Cu]12345[C]678[Fe]9%103(C#[O])(C#[O])(C#[O])[Fe]6(C#[O])(C#[O])(C#[O])([Fe]479(C#[O])(C1=O)C#[O])[Fe]58%10(C2=O)(C#[O])C#[O].[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC
• Title of publication: Structural variations, electrochemical properties and computational studies on monomeric and dimeric Fe-Cu carbide clusters, forming copper-based staple arrays.
• Authors of publication: Pergola, Roberto Della; Bruschi, Maurizio; Sironi, Annalisa; Manassero, Mario; Manassero, Carlo; Strumolo, Donatella; Fedi, Serena; Zanello, Piero
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 20
• Pages of publication: 5464 - 5475
• a: 10.2603 ± 0.0008 Å
• b: 11.0569 ± 0.0009 Å
• c: 14.175 ± 0.0011 Å
• α: 103.989 ± 0.001°
• β: 104.349 ± 0.001°
• γ: 93.2 ± 0.001°
• Cell volume: 1500.2 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Goodness-of-fit parameter for all reflections: 0.99
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No